CID 130478320

1356821-60-7

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(C=CN1CC2CC2)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-7-9(10(12)13)4-5-11(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKey
ZVBFIJSHWORKEY-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 140.8
[M+Na]+ 202.08386 153.0
[M+NH4]+ 197.12846 148.9
[M+K]+ 218.05780 151.0
[M-H]- 178.08736 148.8
[M+Na-2H]- 200.06931 148.2
[M]+ 179.09409 145.7
[M]- 179.09519 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.